ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate

C18H20FN3O2 — CID 133407065

IUPACethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1c(C#N)cnc2c(C)cc(F)cc12
InChIInChI=1S/C18H20FN3O2/c1-4-24-16(23)6-5-12(3)22-18-13(9-20)10-21-17-11(2)7-14(19)8-15(17)18/h7-8,10,12H,4-6H2,1-3H3,(H,21,22)
InChIKeyYPORFMDRINCIHN-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.70
Rot. Bonds6

About ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate

ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate (PubChem CID 133407065) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate
PubChem CID133407065
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Nameethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1c(C#N)cnc2c(C)cc(F)cc12
InChIInChI=1S/C18H20FN3O2/c1-4-24-16(23)6-5-12(3)22-18-13(9-20)10-21-17-11(2)7-14(19)8-15(17)18/h7-8,10,12H,4-6H2,1-3H3,(H,21,22)
InChIKeyYPORFMDRINCIHN-UHFFFAOYSA-N
XLogP3.70
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate with MolForge

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Related Compounds

6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697
N-butan-2-yl-3-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]benzamide
CID 133317900
6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
CID 166214969
4-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430686
N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133306197
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317005
ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
CID 133407132
4-(2-cyclopropylethylamino)-6-fluoro-8-methylquinoline-3-carbonitrile
CID 133324355
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
6-fluoro-8-methyl-4-[4-(1,2,4-triazol-4-yl)butylamino]quinoline-3-carbonitrile
CID 133325446
6-fluoro-8-methyl-4-[(3-methyloxetan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133352960
ethyl 4-[(7-fluoroquinolin-4-yl)amino]pentanoate
CID 133407100

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate?
The IUPAC name of ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate (CID 133407065) is ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate.
What is the SMILES notation for ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate?
The canonical SMILES for ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate is CCOC(=O)CCC(C)Nc1c(C#N)cnc2c(C)cc(F)cc12.
What is the InChIKey of ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate?
The InChIKey is YPORFMDRINCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-4-24-16(23)6-5-12(3)22-18-13(9-20)10-21-17-11(2)7-14(19)8-15(17)18/h7-8,10,12H,4-6H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate?
ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate has a molecular weight of 329.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]pentanoate is sourced from PubChem (CID 133407065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).